SCHEMBL7847824

SCHEMBL7847824

COc1ccc2c(c1)[C@@H]1CN(CCCN)C[C@@H]1CO2

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 0.65
DRD3 P35462 17/20 0.65
HSD17B10 Q99714 1/20 0.41
HTR1A P08908 1/20 0.40
HTR2B P41595 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7847826 1.00 DRD2 (0.65) DRD2DRD3HSD17B10HTR1AHTR2B
SCHEMBL7846662 0.97 DRD2 (0.64) DRD2DRD3HTR1AHTR2BSIGMAR1
SCHEMBL7846664 0.97 DRD2 (0.64) DRD2DRD3HTR1AHTR2BSIGMAR1
SCHEMBL7836388 0.93 DRD2 (0.68) DRD2DRD3HTR1AHTR2BSIGMAR1
SCHEMBL7836389 0.93 DRD2 (0.68) DRD2DRD3HTR1AHTR2BSIGMAR1
SCHEMBL8386561 0.88 DRD2 (0.65) DRD2DRD3
SCHEMBL8387283 0.88 DRD2 (0.71) DRD2DRD3HTR1AHTR2BSIGMAR1
SCHEMBL8319525 0.87 DRD2 (0.69) DRD2DRD3HTR1AHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL8685275 0.86 DRD2 (0.68) DRD2DRD3HTR1AHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL8902639 0.86 DRD2 (0.68) DRD2DRD3HTR1AHTR2BSIGMAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0942911-B1 BENZOPYRANOPYRROLE AND BENZOPYRANOPYRIDINE ALPHA-1 ADRENERGIC COMPOUNDS ABBOTT LAB (US) 2001-10-17 EP disclosed
US-5891882-A TREATING BENIGN PROSTATIC HYPERPLASIA OR OTHER UROLOGICAL DISEASES SUCH AS BLADDER OUTLET OBSTRUCTION AND NEUROGENIC BLADDER, OR GYNECOLOGICAL SYNDROMES SUCH AS DYSMENORRHEA ABBOTT LABORATORIES (US) 1999-04-06 US disclosed